N-cyclooctyl-3-methylbenzamide

C16H23NO — CID 966011

IUPACN-cyclooctyl-3-methylbenzamide
SMILESCc1cccc(C(=O)NC2CCCCCCC2)c1
InChIInChI=1S/C16H23NO/c1-13-8-7-9-14(12-13)16(18)17-15-10-5-3-2-4-6-11-15/h7-9,12,15H,2-6,10-11H2,1H3,(H,17,18)
InChIKeyXPOCBNVOHWAROU-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.84
Rot. Bonds2

About N-cyclooctyl-3-methylbenzamide

N-cyclooctyl-3-methylbenzamide (PubChem CID 966011) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N-cyclooctyl-3-methylbenzamide.

Molecular Properties

Compound NameN-cyclooctyl-3-methylbenzamide
PubChem CID966011
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN-cyclooctyl-3-methylbenzamide
SMILESCc1cccc(C(=O)NC2CCCCCCC2)c1
InChIInChI=1S/C16H23NO/c1-13-8-7-9-14(12-13)16(18)17-15-10-5-3-2-4-6-11-15/h7-9,12,15H,2-6,10-11H2,1H3,(H,17,18)
InChIKeyXPOCBNVOHWAROU-UHFFFAOYSA-N
XLogP3.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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N-(4-bromocyclohexyl)-3-methylbenzamide
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3-methyl-N-piperidin-1-ium-4-ylbenzamide
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1-N-cyclohexyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109050479
N-cyclohexyl-3-(hydroxymethyl)benzamide
CID 91471935
1-N-cyclopentyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
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N-(azetidin-3-yl)-3-methylbenzamide
CID 66186058
N-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-3-methylbenzamide
CID 25448585
3-N-tert-butyl-1-N-cycloheptylbenzene-1,3-dicarboxamide
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Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-3-methylbenzamide?
The IUPAC name of N-cyclooctyl-3-methylbenzamide (CID 966011) is N-cyclooctyl-3-methylbenzamide.
What is the SMILES notation for N-cyclooctyl-3-methylbenzamide?
The canonical SMILES for N-cyclooctyl-3-methylbenzamide is Cc1cccc(C(=O)NC2CCCCCCC2)c1.
What is the InChIKey of N-cyclooctyl-3-methylbenzamide?
The InChIKey is XPOCBNVOHWAROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-13-8-7-9-14(12-13)16(18)17-15-10-5-3-2-4-6-11-15/h7-9,12,15H,2-6,10-11H2,1H3,(H,17,18).
What are the key properties of N-cyclooctyl-3-methylbenzamide?
N-cyclooctyl-3-methylbenzamide has a molecular weight of 245.37 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-3-methylbenzamide is sourced from PubChem (CID 966011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).